Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c2ccsc2)CC1 |
MW: | 512.604 |
Fraction sp3: | 0.45 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 81.24 |
cLogP: | 1.7646 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
MAK-UNK-902cc841-8
0.688
MAK-UNK-902cc841-9
0.671
MAK-UNK-6435e6c2-6
0.574
MAK-UNK-902cc841-1
0.523
JAG-SYN-9c2cd0bd-1
0.461
JAG-SYN-9c2cd0bd-2
0.455
MAK-UNK-902cc841-7
0.446
NAU-LAT-64f4b287-1
0.437
LON-WEI-8f408cad-2
0.436
MAR-TRE-6a44bbf2-4
0.436
AAR-POS-d2a4d1df-32
0.436
MAK-UNK-10dfa458-27
0.436
JAG-SYN-9c2cd0bd-13
0.420
JAG-SYN-9c2cd0bd-12
0.420
BEN-DND-76ad4ac9-12
0.400
BEN-DND-03406596-2
0.400
MAK-UNK-902cc841-17
0.387
MAK-UNK-6435e6c2-11
0.382
MAK-UNK-4c6b313a-1
0.382
MAK-UNK-6435e6c2-10
0.382
MAK-UNK-902cc841-6
0.380
JAG-SYN-9c2cd0bd-15
0.370
MAK-UNK-902cc841-4
0.366
JAG-SYN-9c2cd0bd-11
0.358
MAK-UNK-902cc841-2
0.358
MAK-UNK-6435e6c2-1
0.354
BEN-DND-76ad4ac9-2
0.349
SWA-SYN-6423ea73-4
0.347
SWA-SYN-d2e6fa14-4
0.347
MAK-UNK-6435e6c2-5
0.346
MAK-UNK-902cc841-14
0.333
MAK-UNK-902cc841-18
0.330
MAK-UNK-902cc841-13
0.327
ALE-MCD-a1893bfb-1
0.325
SAD-SAT-bc31ec01-9
0.313
JAG-SYN-9c2cd0bd-10
0.310
MAK-UNK-10dfa458-18
0.310
MAK-UNK-902cc841-15
0.306
JON-UIO-066ce08b-6
0.296
MAK-UNK-212f693e-1
0.293
ANT-OPE-7824651a-2
0.292
MAK-UNK-7264f48c-6
0.291
MAK-UNK-10dfa458-46
0.291
MAT-POS-ee51dedd-2
0.291
MAK-UNK-902cc841-3
0.286
DAN-MCD-5c762fbe-1
0.284
MAK-UNK-7264f48c-1
0.283
DRR-IMP-dff87f5e-4
0.282
MAK-UNK-902cc841-5
0.280
JON-UNI-bb9dc649-11
0.278
MAK-UNK-7264f48c-5
0.277
MAK-UNK-10dfa458-4
0.276
BEN-DND-03ad4429-7
0.276
MAK-UNK-6ca90168-19
0.275
JAN-GHE-bf40f168-1
0.274
MIH-UNI-6b9ca91a-2
0.272
MAK-UNK-7264f48c-2
0.272
ANT-OPE-7824651a-1
0.271
MAK-UNK-10dfa458-5
0.270
BEN-DND-03ad4429-3
0.270
MAK-UNK-7264f48c-4
0.269
KEN-MCD-6084b33e-1
0.269
MAR-TRE-6a44bbf2-8
0.267
DRR-IMP-dff87f5e-5
0.267
NAU-LAT-a5c7d7cb-3
0.267
VLA-UCB-05e51b3f-2
0.267
AAR-POS-d2a4d1df-34
0.267
MAK-UNK-212f693e-5
0.265
MAK-UNK-6435e6c2-3
0.265
MAK-UNK-7264f48c-3
0.264
BEN-DND-76ad4ac9-11
0.263
BEN-DND-03406596-9
0.263
MAK-UNK-23561bf6-1
0.262
LON-WEI-8f408cad-3
0.261
MAR-TRE-6a44bbf2-52
0.261
AAR-POS-d2a4d1df-22
0.261
MIC-UNK-5a93dd5f-10
0.259
MIC-UNK-6ab519a7-1
0.259
NAU-LAT-a5c7d7cb-2
0.259
NIR-THE-590dedc7-1
0.259
SAD-SAT-2fd372d1-4
0.259
MAK-UNK-10dfa458-26
0.258
ALE-MCD-4ac17b19-1
0.257
JOE-SYG-2c9a1216-3
0.257
NAU-LAT-a5c7d7cb-6
0.257
MAT-POS-590ac91e-70
0.257
MAT-POS-590ac91e-68
0.257
DAN-MCD-50ec7d1f-1
0.256
BEN-DND-03406596-10
0.256
MAR-TRE-6a44bbf2-18
0.256
LON-WEI-8f408cad-4
0.256
AAR-POS-d2a4d1df-23
0.256
MAK-UNK-7c9d1431-11
0.255
MAR-TRE-6a44bbf2-65
0.255
TAT-ENA-80bfd3e5-43
0.255
MAK-UNK-3f402c2b-9
0.255
JOE-SYG-2c9a1216-1
0.255
WIL-LEE-23e8b574-5
0.253
MAK-UNK-10dfa458-29
0.253
BEN-DND-76ad4ac9-13
0.253